Structure of PDB 5jil Chain A Binding Site BS01

Receptor Information

>5jil Chain A (length=369) Species: 31632 (Rat coronavirus)

FNEPLNIVSHLNDDWFLFGDARSDCTYVENNGHPKLDWLDLDPKLCNSGR
ISAKSGNSLFRSFHFTDFYNYSGEGDQVIFYEGVNFSPSHGFKCLANGDN
KIWMGNKARFYARLYEKMAQYRSLSIVTVSYAYGGNAKPTSICKDNKLTL
NNPTFISKESNYADYYYVSEANFTLQGCDEFIVPLCVFNGHSRGSSSDPA
NTYYMDSQMYYNTVTGVFYGFNSTLDVGTTVQNPGLDLTCSYLALSPGNY
KAVSLEFLLSLPSKAICLLKPKRFMPVQVVDSRWNSTRQSDNMTAVACQL
PYCFFRNTSADYSGDTHDVHHGDLYFRQLLSGLLYNVSCIAQQGAFLYNN
VSSIWPVYGYGHCPTAANI

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 5jil Chain A Residue 511

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5jil Coronavirus receptor switch explained from the stereochemistry of protein-carbohydrate interactions and a single mutation.
• Resolution: 1.85 Å
• Binding residue (original residue number in PDB): E48 H52 D56 H336
• Binding residue (residue number reindexed from 1): E29 H33 D37 H317
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.1.53: sialate O-acetylesterase.

Gene Ontology

Molecular Function

• GO:0001681 sialate O-acetylesterase activity
• GO:0016788 hydrolase activity, acting on ester bonds
• GO:0046789 host cell surface receptor binding

Biological Process

• GO:0019064 fusion of virus membrane with host plasma membrane

Cellular Component

• GO:0019031 viral envelope

External links

• PDB: RCSB:5jil, PDBe:5jil, PDBj:5jil
• PDBsum: 5jil
• PubMed: 27185912
• UniProt: Q3HS77